Methyl 5-amino-2-morpholinobenzoate

Base Information

• Chemical Name: Methyl 5-amino-2-morpholinobenzoate
• CAS No.: 83909-35-7
• Molecular Formula: C12H16 N2 O3 . 2 Cl H
• Molecular Weight: 236.267
• DSSTox Substance ID: DTXSID10377492
• Wikidata: Q82166729
• Mol file: 83909-35-7.mol

Synonyms:83909-35-7;Methyl 5-amino-2-morpholinobenzoate;Methyl 5-amino-2-morpholinobenzenecarboxylate;4031-84-9;methyl 5-amino-2-morpholin-4-ylbenzoate;methyl 5-amino-2-(morpholin-4-yl)benzoate;5-AMINO-2-MORPHOLIN-4-YL-BENZOICACIDMETHYLESTER;Benzoic acid,5-amino-2-(4-morpholinyl)-, methyl ester, hydrochloride (1:2);5-Amino-2-morpholin-4-yl-benzoic acid methyl ester;methyl 5-amino-2-(4-morpholinyl)benzoate;SCHEMBL422548;DTXSID10377492;UDCGGVAQNYMTAZ-UHFFFAOYSA-N;HMS1697P11;BBL008021;MFCD00277666;STK344854;AKOS000107943;NCGC00338311-01;BB 0244765;CS-0313864;FT-0680751;FT-0738476;AB01330775-02;5-amino-2-morpholin-4-ylbenzoic acid methyl ester;9W-0232;A873380;J-522434;5-Amino-2-morpholin-4-yl-benzoic acid methyl ester

Chemical Property of Methyl 5-amino-2-morpholinobenzoate

Chemical Property:

• Vapor Pressure: 4.57E-08mmHg at 25°C
• Melting Point: 118-120ºC
• Boiling Point: 443.6°C at 760 mmHg
• Flash Point: 222.1°C
• PSA: 64.79000
• Density: 1.224g/cm³
• LogP: 1.53820
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 236.11609238
• Heavy Atom Count: 17
• Complexity: 267

Purity/Quality:

98%min ^*data from raw suppliers

Methyl 5-amino-2-morpholinobenzenecarboxylate >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(C=CC(=C1)N)N2CCOCC2

Technology Process of Methyl 5-amino-2-morpholinobenzoate

There total 2 articles about Methyl 5-amino-2-morpholinobenzoate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 86.0%

methyl 2-(N-morpholino)-5-nitrobenzoate (83909-55-1) → 5-Amino-2-morpholin-4-yl-benzoic acid methyl ester; hydrochloride (83909-35-7)

Guidance literature:

With hydrogenchloride; hydrogen; palladium on activated charcoal; In methanol;

Reference yield:

2-chloro-5-nitro-benzoic acid methyl ester (6307-82-0) → 5-Amino-2-morpholin-4-yl-benzoic acid methyl ester; hydrochloride (83909-35-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 56 percent / 3 h / Heating

2: 86 percent / H₂, HCl / Pd-C / methanol

With hydrogenchloride; hydrogen; palladium on activated charcoal; In methanol;

upstream raw materials:

methyl 2-(N-morpholino)-5-nitrobenzoate

2-chloro-5-nitro-benzoic acid methyl ester